| Coumarin derivatives for dye sensitized solar cells: a TD-DFT study R Sánchez-de-Armas, MÁ San Miguel, J Oviedo, JF Sanz Physical Chemistry Chemical Physics 14 (1), 225-233, 2012 | 208 | 2012 |
| Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2 Nanoclusters R Sánchez-de-Armas, J Oviedo Lopez, M A. San-Miguel, JF Sanz, ... Journal of Chemical Theory and Computation 6 (9), 2856-2865, 2010 | 177 | 2010 |
| Direct vs indirect mechanisms for electron injection in dye-sensitized solar cells R Sánchez-de-Armas, J Oviedo, MÁ San Miguel, JF Sanz The Journal of Physical Chemistry C 115 (22), 11293-11301, 2011 | 130 | 2011 |
| Methanol adsorption and dissociation on TiO2 (110) from first principles calculations RS de Armas, J Oviedo, MA San Miguel, JF Sanz The Journal of Physical Chemistry C 111 (27), 10023-10028, 2007 | 118 | 2007 |
| Electronic structure and optical spectra of catechol on TiO2 nanoparticles from real time TD-DFT simulations R Sánchez-de-Armas, MA San-Miguel, J Oviedo, A Márquez, JF Sanz Physical Chemistry Chemical Physics 13 (4), 1506-1514, 2011 | 109 | 2011 |
| Methanol and Water Dissociation on TiO2 (110): The Role of Surface Oxygen J Oviedo, R Sánchez-de-Armas, MA San Miguel, JF Sanz The Journal of Physical Chemistry C 112 (46), 17737-17740, 2008 | 96 | 2008 |
| Molecular-dynamics simulations of liquid aluminum oxide MA San Miguel, JF Sanz, LJ Alvarez, JA Odriozola Physical Review B 58 (5), 2369, 1998 | 88 | 1998 |
| Oxygen vacancies on TiO2 (110) from first principles calculations J Oviedo, MA San Miguel, JF Sanz The Journal of chemical physics 121 (15), 7427-7433, 2004 | 85 | 2004 |
| Structure and chemical state of octadecylamine self-assembled monolayers on mica JJ Benítez, MA San-Miguel, S Domínguez-Meister, JA Heredia-Guerrero, ... The Journal of Physical Chemistry C 115 (40), 19716-19723, 2011 | 61 | 2011 |
| Elucidating the real-time Ag nanoparticle growth on α-Ag 2 WO 4 during electron beam irradiation: experimental evidence and theoretical insights W da Silva Pereira, J Andrés, L Gracia, MA San-Miguel, EZ da Silva, ... Physical chemistry chemical physics 17 (7), 5352-5359, 2015 | 59 | 2015 |
| An Escherichia coli twin‐arginine signal peptide switches between helical and unstructured conformations depending on the hydrophobicity of the environment M San Miguel, R Marrington, PM Rodger, A Rodger, C Robinson European journal of biochemistry 270 (16), 3345-3352, 2003 | 58 | 2003 |
| Direct vs. indirect mechanisms for electron injection in DSSC: Catechol and alizarin R Sánchez-de-Armas, MA San-Miguel, J Oviedo, JF Sanz Computational and Theoretical Chemistry 975 (1-3), 99-105, 2011 | 51 | 2011 |
| Chemical reactions in 2D: self-assembly and self-esterification of 9 (10), 16-dihydroxypalmitic acid on mica surface JA Heredia-Guerrero, MA San-Miguel, MSP Sansom, A Heredia, ... Langmuir 25 (12), 6869-6874, 2009 | 44 | 2009 |
| The effect of corrosion inhibitor films on deposition of wax to metal oxide surfaces MA San-Miguel, PM Rodger Journal of Molecular Structure: THEOCHEM 506 (1-3), 263-272, 2000 | 44 | 2000 |
| In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: probing the physical principles MA San-Miguel, EZ da Silva, SM Zanetti, M Cilense, MT Fabbro, L Gracia, ... Nanotechnology 27 (22), 225703, 2016 | 42 | 2016 |
| Molecular dynamics simulations of Na deposition on the TiO 2 (110) surface MA San Miguel, CJ Calzado, JF Sanz Surface science 409 (1), 92-100, 1998 | 41 | 1998 |
| Molecular modification of coumarin dyes for more efficient dye sensitized solar cells R Sánchez-de-Armas, MA San-Miguel, J Oviedo, JF Sanz The Journal of chemical physics 136 (19), 194702, 2012 | 40 | 2012 |
| Modeling alkali atoms deposition on TiO2 (110) surface MA San Miguel, CJ Calzado, JF Sanz The Journal of Physical Chemistry B 105 (9), 1794-1798, 2001 | 38 | 2001 |
| Lithium diffusion in γ-LiAlO2, a molecular dynamics simulation JP Jacobs, MA San Miguel, LJ Alvarez, PB Giral Journal of nuclear materials 232 (2-3), 131-137, 1996 | 36 | 1996 |
| Tailoring the Bactericidal Activity of Ag Nanoparticles/α-Ag2WO4 Composite Induced by Electron Beam and Femtosecond Laser Irradiation: Integration of … NG Macedo, TR Machado, RA Roca, M Assis, CC Foggi, V Puerto-Belda, ... ACS Applied Bio Materials 2 (2), 824-837, 2019 | 32 | 2019 |
Elson LongoProfessor Química, Universidade Federal de São CarlosVerified email at ufscar.br
